2-Chloro-4-fluorobenzenesulfonyl chloride - CAS 85958-57-2
Catalog: |
BB037785 |
Product Name: |
2-Chloro-4-fluorobenzenesulfonyl chloride |
CAS: |
85958-57-2 |
Synonyms: |
2-chloro-4-fluorobenzenesulfonyl chloride |
IUPAC Name: | 2-chloro-4-fluorobenzenesulfonyl chloride |
Description: | 2-Chloro-4-fluorobenzenesulfonyl chloride (CAS# 85958-57-2) is a useful research chemical. |
Molecular Weight: | 229.06 |
Molecular Formula: | C6H3Cl2FO2S |
Canonical SMILES: | C1=CC(=C(C=C1F)Cl)S(=O)(=O)Cl |
InChI: | InChI=1S/C6H3Cl2FO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H |
InChI Key: | FCFPJKHVCHKCMP-UHFFFAOYSA-N |
Boiling Point: | 294.9 °C at 760 mmHg |
Density: | 1.569 g/cm3 |
Appearance: | Clear yellow liquid after melting |
MDL: | MFCD00052957 |
LogP: | 3.48740 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110590708-B | Aroyl piperazine compound, preparation method thereof and application thereof in antivirus | 20190924 |
CN-109761980-A | A kind of Rutaecarpine analog derivative and its preparation method and application that 3- amido sulfoamido replaces | 20190219 |
CN-109608369-A | Sulphonyl ester group anthraquinone derivatives and its preparation method and application | 20181224 |
WO-2020117634-A1 | Ire1 small molecule inhibitors | 20181203 |
WO-2020104494-A1 | New heterocyclic compounds | 20181122 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.9214841 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.9214841 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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